4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid

C18H14N2O3S — CID 18446555

IUPAC4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid
SMILESNc1ncc(C(=O)O)c2sc(-c3ccc4c(c3)CCC(=O)C4)cc12
InChIInChI=1S/C18H14N2O3S/c19-17-13-7-15(24-16(13)14(8-20-17)18(22)23)11-2-1-10-6-12(21)4-3-9(10)5-11/h1-2,5,7-8H,3-4,6H2,(H2,19,20)(H,22,23)
InChIKeyHVEOBCAMATVIPN-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.30
Rot. Bonds2

About 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid

4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid (PubChem CID 18446555) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid
PubChem CID18446555
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid
SMILESNc1ncc(C(=O)O)c2sc(-c3ccc4c(c3)CCC(=O)C4)cc12
InChIInChI=1S/C18H14N2O3S/c19-17-13-7-15(24-16(13)14(8-20-17)18(22)23)11-2-1-10-6-12(21)4-3-9(10)5-11/h1-2,5,7-8H,3-4,6H2,(H2,19,20)(H,22,23)
InChIKeyHVEOBCAMATVIPN-UHFFFAOYSA-N
XLogP3.30
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid (CID 18446555) is 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid is Nc1ncc(C(=O)O)c2sc(-c3ccc4c(c3)CCC(=O)C4)cc12.
What is the InChIKey of 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is HVEOBCAMATVIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c19-17-13-7-15(24-16(13)14(8-20-17)18(22)23)11-2-1-10-6-12(21)4-3-9(10)5-11/h1-2,5,7-8H,3-4,6H2,(H2,19,20)(H,22,23).
What are the key properties of 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid?
4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 18446555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).